SCHEMBL4377745

SCHEMBL4377745

CC[C@@H](N)CNc1ccc(N2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
HTT P42858 5/20 0.49
MAPT P10636 12/20 0.47
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 8/20 0.47
GAA P10253 7/20 0.47
L3MBTL1 Q9Y468 6/20 0.47
ALOX15 P16050 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
APP P05067 1/20 0.47
ALOX12 P18054 1/20 0.47
SNCA P37840 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4377743 1.00 SMN1; SMN2 (0.50) SMN1; SMN2TP53NPC1RAB9AHTT
SCHEMBL4368253 0.87 GAA (0.52) SMN1; SMN2TP53NPC1RAB9AHTT
SCHEMBL4368258 0.87 GAA (0.52) SMN1; SMN2TP53NPC1RAB9AHTT
SCHEMBL13624233 0.85 LGMN (0.39) SMN1; SMN2TP53NPC1RAB9AHTT
SCHEMBL12257144 0.79 MAPT (0.59) SMN1; SMN2TP53NPC1RAB9AHTT
SCHEMBL30874694 0.78 MAPT (0.53) SMN1; SMN2TP53NPC1RAB9AHTT
SCHEMBL13624236 0.77 MAPT (0.51) RAB9AMAPTKMT2A
Hydrochloric Acid SCHEMBL9014023 0.77 MAPT (0.58) SMN1; SMN2TP53NPC1RAB9AHTT
SCHEMBL13624239 0.76 ALDH1A1 (0.46) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL13159609 0.76 SMN1; SMN2 (0.56) SMN1; SMN2TP53NPC1RAB9AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF SMN1; SMN2 4525/4885TP53 147/4885NPC1 501/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.